N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiophene-2-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-methylthiophene-2-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiophene-2-carboxamide Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(SC=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C17H22N2O2S/c1-13-7-11-22-16(13)17(20)18-12-14(15-6-5-10-21-15)19-8-3-2-4-9-19/h5-7,10-11,14H,2-4,8-9,12H2,1H3,(H,18,20)/p+1/t14-/m0/s1